Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 6/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.37 |
| ▸ | CBFB | Q13951 | 1/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7097628 | 0.90 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL14430372 | 0.78 | KDM4E (0.59) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL1274261 | 0.77 | KDM4E (0.79) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL31597571 | 0.77 | KDM4E (0.79) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL9448294 | 0.75 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL10836255 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL10835300 | 0.72 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL9041741 | 0.72 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7410003 | 0.72 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL16556084 | 0.72 | KDM4E (0.61) | ALDH1A1KDM4EHPGDGAAGLA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993012754-A2 | TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS | ABBOTT LABORATORIES (US) | 1993-07-08 | — | — | WO | disclosed |